24553 1 2 3 4 9 9 9 7 1 2 3 4 4 4 1 1 1 1 5 255 1 2 3 4 3.732 2 2.866 2.866 0.75 0.75 -0.75 0.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000201800000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trifluoroamine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/F3N/c1-4(2)3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GVGCUCJTUSOZKP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 70.99828349 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 F3N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 71.002 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 N(F)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 N(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 70.99828349 4 0 0 0 0 0 0 0 1 -1